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--- documentation:language_reference:functions:calculaterho [2018/06/21 15:14] – created Simon Heinze
+++ documentation:language_reference:functions:calculaterho [2025/11/20 03:29] (current) – external edit 127.0.0.1
@@ Line 2: / Line 2: @@
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-alligned paragraph text
+//CalculateRho($H$)// computes the density matrix for a given Tight Binding model.
 ###
 ===== Input =====
-  * bla : Integer
+  * $H$ : Tight Binding Object
-  * bla2 : Real
+  * Possible options are:
+    * "Nk" List of integers the format {N$_x$,N$_y$,N$_z$} giving the number of Crystal momentum states used to solve the model. If the reciprocal lattice is zero, then Nk is always set to {0,0,0}, independent of the option given (Standard value {40,40,40})
+    * "mu" Real number giving the chemical potential $\mu$. (Standard value 0)
+    * "kbT" or "kBT" Positive real number indicating the value of $\beta=k_BT$ for the calculation. (Standard value DBL_EPSILON)
 ===== Output =====
-  * bla : real
+  * $\rho$ : Matrix object with size N$_x$*N$_y$*N$_z$*N$_{orbs}$, where N$_{orbs}$ is the number of defined orbitals per unit cell in the Tight Binding input.
 ===== Example =====